Tuboxenine

AlkaPlorer ID: AK141096

Synonym: ''

IUPAC Name: (1R,9S,12S,19S,20S)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6-triene

Structure

SMILES: C[C@H]1[C@]23CCCN4CC[C@@]5(C6=CC=CC=C6N[C@@]15CC2)[C@@H]43

copy

InChI: InChI=1S/C19H24N2/c1-13-17-7-4-11-21-12-10-18(16(17)21)14-5-2-3-6-15(14)20-19(13,18)9-8-17/h2-3,5-6,13,16,20H,4,7-12H2,1H3/t13-,16-,17-,18+,19-/m0/s1

copy

InChIKey: ZMNQOAJDBCBZSX-FLTXXLLZSA-N

copy

Source

Properties Information

Molecule Weight: 280.4150000000001

TPSA: 15.27

MolLogP: 3.386700000000002

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information